2-(4-Benzyloxy-phenyl)-2-(4-methoxy-2-methoxymethoxymethyl-phenyl)-1-phenyl-ethanone | 848483-82-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(4-Benzyloxy-phenyl)-2-(4-methoxy-2-methoxymethoxymethyl-phenyl)-1-phenyl-ethanone
• CAS: 848483-82-9
• 化学式: C₃₁H₃₀O₅
• 分子量: 482.576
• InChiKey: ISRVZEJTHNCAMI-UHFFFAOYSA-N

物化性质

• 沸点：
  618.1±55.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.41
• 重原子数：
  36.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(4-Benzyloxy-phenyl)-2-(4-methoxy-2-methoxymethoxymethyl-phenyl)-1-phenyl-ethanone 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-Benzyloxy-phenyl)-2-(2-hydroxymethyl-4-methoxy-phenyl)-1-phenyl-ethanone
  参考文献：
  名称：

  Estrogen receptor ligands. Part 11: Synthesis and activity of isochromans and isothiochromans

  摘要：

  The ring oxygen and sulfur analogs of lasofoxifene, 1a and 1b, were synthesized in an attempt to impart ERalpha selectivity, as found in the closely related dihydrobenzoxathiin compound 1, recently discovered in these laboratories. The resulting isochroman and isothiochroman compounds were found to exhibit equipotent binding affinities to the ER isoforms and were less active in the inhibition of estradiol-triggered uterine growth when compared to I and lasofoxifene. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.018
• 作为产物：
  描述：

  2-(4-Benzyloxy-phenyl)-2-(4-methoxy-2-methoxymethoxymethyl-phenyl)-1-phenyl-ethanol 在 吡啶 、 戴斯-马丁氧化剂 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到2-(4-Benzyloxy-phenyl)-2-(4-methoxy-2-methoxymethoxymethyl-phenyl)-1-phenyl-ethanone
  参考文献：
  名称：

  Estrogen receptor ligands. Part 11: Synthesis and activity of isochromans and isothiochromans

  摘要：

  The ring oxygen and sulfur analogs of lasofoxifene, 1a and 1b, were synthesized in an attempt to impart ERalpha selectivity, as found in the closely related dihydrobenzoxathiin compound 1, recently discovered in these laboratories. The resulting isochroman and isothiochroman compounds were found to exhibit equipotent binding affinities to the ER isoforms and were less active in the inhibition of estradiol-triggered uterine growth when compared to I and lasofoxifene. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.018